METHIMAZOLE


Trade Names	METHIMAZOLE TAPAZOLE
Synonyms	Favistan Mercaptizole Methimazole NSC-38608 Tapazole Thiamazole
Status
Molecule Category	UNKNOWN
UNII	554Z48XN5E
EPA CompTox	DTXSID4020820


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	PMRYVIKBURPHAH-UHFFFAOYSA-N
Smiles	Cn1ccnc1S
InChI	InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C4H6N2S
Molecular Weight	114.17
AlogP	1.08
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	0.0
Polar Surface Area	20.72
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	7.0

Pharmacology

Mechanism of Action	Action	Reference
Thyroid peroxidase inhibitor	INHIBITOR	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	11800	-	45000	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	106
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-	12

Cross References

Resources	Reference
ChEBI	50673
ChEMBL	CHEMBL1515
DrugBank	DB00763
DrugCentral	1745
FDA SRS	554Z48XN5E
Human Metabolome Database	HMDB0014901
Guide to Pharmacology	6649
KEGG	C07190
PDB	MMZ
PharmGKB	PA450422
PubChem	1349907
SureChEMBL	SCHEMBL41647
ZINC	ZINC000001187543

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).